1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine

C14H17BrFN3 — CID 106581546

IUPAC1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFN3/c1-3-4-7-17-14-18-10(2)9-19(14)11-5-6-13(16)12(15)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyQINYPASHFVPYIG-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.29
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine

1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine (PubChem CID 106581546) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
PubChem CID106581546
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFN3/c1-3-4-7-17-14-18-10(2)9-19(14)11-5-6-13(16)12(15)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyQINYPASHFVPYIG-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine (CID 106581546) is 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1-c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine?
The InChIKey is QINYPASHFVPYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-4-7-17-14-18-10(2)9-19(14)11-5-6-13(16)12(15)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine?
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine has a molecular weight of 326.21 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106581546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).